2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide

C24H16ClF4N5O2 — CID 24958728

About 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide

2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide (PubChem CID 24958728) has the molecular formula C24H16ClF4N5O2 and a molecular weight of 517.87 g/mol. Its IUPAC name is 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide
• PubChem CID: 24958728
• Molecular Formula: C24H16ClF4N5O2
• Molecular Weight: 517.87 g/mol
• Exact Mass: 517.09
• IUPAC Name: 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide
• SMILES: NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccnc(Cl)c21
• InChI: InChI=1S/C24H16ClF4N5O2/c25-22-21-17(7-8-31-22)18(11-33(21)12-20(30)35)23(36,24(27,28)29)14-1-6-19-13(9-14)10-32-34(19)16-4-2-15(26)3-5-16/h1-11,36H,12H2,(H2,30,35)
• InChIKey: XHMSVDQIBILCGL-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 98.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.87
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide?

The IUPAC name of 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide (CID 24958728) is 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide.

What is the SMILES notation for 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide?

The canonical SMILES for 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide is NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccnc(Cl)c21.

What is the InChIKey of 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide?

The InChIKey is XHMSVDQIBILCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF4N5O2/c25-22-21-17(7-8-31-22)18(11-33(21)12-20(30)35)23(36,24(27,28)29)14-1-6-19-13(9-14)10-32-34(19)16-4-2-15(26)3-5-16/h1-11,36H,12H2,(H2,30,35).

What are the key properties of 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide?

2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide has a molecular weight of 517.87 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-chloro-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 24958728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).